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cond-mat.mtrl-sci2020
Hybrid functional analysis of porous coordination polymers Cu[Cu(pdt)] and Cu[Ni(pdt)]
S. V. Syrotyuk, Yu. V. Klysko
Ab initio investigation of the two porous coordination polymers Cu[Cu(pdt)] and Cu[Ni(pdt)] has been performed. The dispersion laws and partial density of states wa…
cond-mat.mtrl-sci2013★ 10 cited
Electronic properties of AlN crystal doped with Cr, Mn and Fe
S. V. Syrotyuk, V. M. Shved
The spin-resolved electronic energy band spectra, as well as partial and total density of electronic states of the crystal AlN, doped with Cr, Mn and Fe, have been evaluated within…